Geometry & MOs

Info

ID:	279572
PubChem CID:	103844367
Reduced:	N3O3C12H19 (1)
Stoich.:	A3B3C12D19 (1)
Weight, g/mol:	257.12949
ΔH_f, kcal/mol:	-40.23
Dipole, Da:	9.22
IP(EA), eV:	-9.1(-1.21)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

2-[[(6-chloro-2-methylpyrimidin-4-yl)amino]methyl]-2-ethylbutan-1-ol

Drug info:

PubChemData

Smile

CCC(CC)(CNC1=C(N=CC=C1)[N+](=O)[O-])CO

DOS

IR

Vibrations